SCHEMBL10458336

SCHEMBL10458336

C=CCOC(=O)CN.N=C=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL214047 0.89
SCHEMBL19032768 0.87
Hydrochloric Acid SCHEMBL638709 0.87
Methylene Chloride SCHEMBL11133207 0.83 TSHR (0.44) TSHRTDP1MAPTCACNA1BAPBA1
Dimethylamine SCHEMBL4559644 0.82 TSHR (0.47) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL11666387 0.81 TSHR (0.43) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL11369778 0.79 CYP3A4 (0.41) TSHRTDP1MAPTCACNA1BAPBA1
Trifluoroacetic Acid SCHEMBL27751013 0.77 TSHR (0.40) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL8857067 0.75 TSHR (0.45) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL10458659 0.74 TDP1 (0.41) TSHRTDP1MAPTCACNA1BAPBA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4977272-A Radiation absorbers THE STANDARD OIL COMPANY (US) 1990-12-11 US disclosed